4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol

C9H8FNO4 — CID 117303487

IUPAC4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol
SMILESO=[N+]([O-])c1cc(F)cc(C2(O)CC2)c1O
InChIInChI=1S/C9H8FNO4/c10-5-3-6(9(13)1-2-9)8(12)7(4-5)11(14)15/h3-4,12-13H,1-2H2
InChIKeyIGIHBBLWLNDGES-UHFFFAOYSA-N
MW213.16 g/mol
LogP1.42
Rot. Bonds2

About 4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol

4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol (PubChem CID 117303487) has the molecular formula C9H8FNO4 and a molecular weight of 213.16 g/mol. Its IUPAC name is 4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol.

Molecular Properties

Compound Name4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol
PubChem CID117303487
Molecular FormulaC9H8FNO4
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol
SMILESO=[N+]([O-])c1cc(F)cc(C2(O)CC2)c1O
InChIInChI=1S/C9H8FNO4/c10-5-3-6(9(13)1-2-9)8(12)7(4-5)11(14)15/h3-4,12-13H,1-2H2
InChIKeyIGIHBBLWLNDGES-UHFFFAOYSA-N
XLogP1.42
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-(hydroxymethyl)-6-nitrophenol
CID 117280586
4-fluoro-2-nitro-6-(trifluoromethyl)phenol
CID 69400502
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol
CID 117306184
2-bromo-1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone
CID 53441697
1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine
CID 130160401
2-(4-chlorobut-1-enyl)-4-fluoro-6-nitrophenol
CID 170499805
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluoro-6-nitrophenol
CID 66511647
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-nitrophenol
CID 171255475
3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide
CID 171868869
6-fluoro-8-nitro-3,4-dihydro-1H-quinolin-2-one
CID 51138330
2,4,6-trinitrobenzene-1,3-diol
CID 20534541

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol?
The IUPAC name of 4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol (CID 117303487) is 4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol.
What is the SMILES notation for 4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol?
The canonical SMILES for 4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol is O=[N+]([O-])c1cc(F)cc(C2(O)CC2)c1O.
What is the InChIKey of 4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol?
The InChIKey is IGIHBBLWLNDGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO4/c10-5-3-6(9(13)1-2-9)8(12)7(4-5)11(14)15/h3-4,12-13H,1-2H2.
What are the key properties of 4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol?
4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol has a molecular weight of 213.16 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol is sourced from PubChem (CID 117303487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).